SCHEMBL16437558

SCHEMBL16437558

c1ccc2c(c1)Cc1c-2ccc2sc3ccc4c(c3c12)Cc1ccccc1-4

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIMK1 P53667 2/20 0.39
PGR P06401 1/20 0.38
MAOA P21397 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
HTR7 P34969 2/20 0.36
HTR2B P41595 2/20 0.36
MAP3K9 P80192 2/20 0.36
MAP3K11 Q16584 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17953564 0.88 MAP3K9 (0.46) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL16437555 0.81 MAP3K9 (0.44) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL17431184 0.80 MAP3K9 (0.45) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL22263591 0.79 PNMT (0.57) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL29177781 0.78 MAP3K9 (0.46) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL18350161 0.76 CYP1A2 (0.34) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL23598097 0.75 MAP3K9 (0.31) PNMTMAP3K9MAP3K11CYP1A2CYP3A4
SCHEMBL15674432 0.74 CA1 (0.46) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL16437554 0.74 PNMT (0.46) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL29793767 0.74 CA1 (0.46) PNMTNPC1RAB9AALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9755157-B2 Organic compound and organic optoelectric device and display device CHEIL INDUSTRIES, INC. (KR) 2017-09-05 US disclosed
US-20150034914-A1 ORGANIC COMPOUND AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL INDUSTRIES, INC. (KR) 2015-02-05 US disclosed